Dioscoretine
TL;DR: Dioscoretine (CAS 128637-87-6) is a chemical compound with molecular formula C13H23NO3 and molecular weight 241.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[(1R,4R)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methylbutanoic acid
Also Known As: Dioscoretine, Dioscoretin, (3S)-4-[(1R,4R)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methylbutanoic acid, 2-Azabicyclo(2.2.2)octane-5-butanoic acid, 5-hydroxy-beta,2-dimethyl-, (1R-(1alpha,4alpha,5alpha,5(S*)))-, 2-Azabicyclo(2.2.2)octane-5-butanoic acid, beta,2-dimethyl-5-hydroxy-, (1R-(1-alpha,4-alpha,5-alpha,5(S*)))-
Technical Specifications
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.1678 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1678 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | C[C@H](CC(=O)O)CC1(C[C@H]2CC[C@@H]1CN2C)O |
| InChIKey | YWVYEZNFPRWGMM-RUPPFBPSSA-N |
Chemical Property Profile of Dioscoretine
Property Insights of Dioscoretine
The XLogP value of -1.2 indicates that Dioscoretine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioscoretine. Following Lipinski's Rule of Five, Dioscoretine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dioscoretine?
The CAS number of Dioscoretine is 128637-87-6.
What is the molecular formula of Dioscoretine?
The molecular formula of Dioscoretine is C13H23NO3.
What is the molecular weight of Dioscoretine?
The molecular weight of Dioscoretine is 241.1678 g/mol.
Where can I buy Dioscoretine?
You can request a quote for Dioscoretine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dioscoretine?
Yes, CoreyChem provides custom synthesis services for Dioscoretine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.